methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C15H20O3 — CID 57119337

IUPACmethyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)C1CCc2ccc(O)c(C(C)C)c2C1
InChIInChI=1S/C15H20O3/c1-9(2)14-12-8-11(15(17)18-3)5-4-10(12)6-7-13(14)16/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyNBVSVZQVMVSIRG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.79
Rot. Bonds2

About methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 57119337) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID57119337
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)C1CCc2ccc(O)c(C(C)C)c2C1
InChIInChI=1S/C15H20O3/c1-9(2)14-12-8-11(15(17)18-3)5-4-10(12)6-7-13(14)16/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyNBVSVZQVMVSIRG-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 57119337) is methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)C1CCc2ccc(O)c(C(C)C)c2C1.
What is the InChIKey of methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is NBVSVZQVMVSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)14-12-8-11(15(17)18-3)5-4-10(12)6-7-13(14)16/h6-7,9,11,16H,4-5,8H2,1-3H3.
What are the key properties of methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 57119337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).